(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1H-imidazol-5-yl)phenyl]methanone

C24H20F2N4O3 — CID 77105987

IUPAC(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1H-imidazol-5-yl)phenyl]methanone
SMILESO=C(c1cc(-c2cnc[nH]2)ccc1O)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H20F2N4O3/c25-24(26)9-10-30(13-21(24)33-22-8-6-15-3-1-2-4-18(15)29-22)23(32)17-11-16(5-7-20(17)31)19-12-27-14-28-19/h1-8,11-12,14,21,31H,9-10,13H2,(H,27,28)
InChIKeyWHNOYBOZIYXLSY-UHFFFAOYSA-N
MW450.45 g/mol
LogP4.26
Rot. Bonds4

About (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1H-imidazol-5-yl)phenyl]methanone

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1H-imidazol-5-yl)phenyl]methanone (PubChem CID 77105987) has the molecular formula C24H20F2N4O3 and a molecular weight of 450.45 g/mol. Its IUPAC name is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1H-imidazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1H-imidazol-5-yl)phenyl]methanone
PubChem CID77105987
Molecular FormulaC24H20F2N4O3
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1H-imidazol-5-yl)phenyl]methanone
SMILESO=C(c1cc(-c2cnc[nH]2)ccc1O)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H20F2N4O3/c25-24(26)9-10-30(13-21(24)33-22-8-6-15-3-1-2-4-18(15)29-22)23(32)17-11-16(5-7-20(17)31)19-12-27-14-28-19/h1-8,11-12,14,21,31H,9-10,13H2,(H,27,28)
InChIKeyWHNOYBOZIYXLSY-UHFFFAOYSA-N
XLogP4.26
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1H-imidazol-5-yl)phenyl]methanone?
The IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1H-imidazol-5-yl)phenyl]methanone (CID 77105987) is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1H-imidazol-5-yl)phenyl]methanone.
What is the SMILES notation for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1H-imidazol-5-yl)phenyl]methanone?
The canonical SMILES for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1H-imidazol-5-yl)phenyl]methanone is O=C(c1cc(-c2cnc[nH]2)ccc1O)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1H-imidazol-5-yl)phenyl]methanone?
The InChIKey is WHNOYBOZIYXLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O3/c25-24(26)9-10-30(13-21(24)33-22-8-6-15-3-1-2-4-18(15)29-22)23(32)17-11-16(5-7-20(17)31)19-12-27-14-28-19/h1-8,11-12,14,21,31H,9-10,13H2,(H,27,28).
What are the key properties of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1H-imidazol-5-yl)phenyl]methanone?
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1H-imidazol-5-yl)phenyl]methanone has a molecular weight of 450.45 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-hydroxy-5-(1H-imidazol-5-yl)phenyl]methanone is sourced from PubChem (CID 77105987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).